Compound Detail
CHEMBL5283742
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CCCCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)CC
Basic Information
| ChEMBL ID | CHEMBL5283742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDFNJMJLDGPTSM-YHNROVSYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
590.7
MW (Da)
4.65
ALogP
9
HBA
3
HBD
157.3
PSA (Ų)
0.09
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Western equine encephalitis virus CHEMBL4513193 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Western equine encephalitis virus | IC50 | = | 3.0 | nM | 8.52 | Antiviral activity against Western equine encephalomyelitis virus Cba-87 infecte... | 32937282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32937282 | 10.1016/j.ejmech.2020.112790 | Western equine encephalitis virus | 1 |
Data from ChEMBL 36 via Core Engine